English
Related papers

Related papers: Autonomous synthesis of metastable materials

200 papers

We introduce an automatic machine learning (AutoML) modeling architecture called Autostacker, which combines an innovative hierarchical stacking architecture and an Evolutionary Algorithm (EA) to perform efficient parameter search. Neither…

Machine Learning · Computer Science 2018-03-05 Boyuan Chen , Harvey Wu , Warren Mo , Ishanu Chattopadhyay , Hod Lipson

Retrieval-augmented generation (RAG) extends large language models (LLMs) with external knowledge, but it must balance limited effective context, redundant retrieved evidence, and the loss of fine-grained facts under aggressive compression.…

Computation and Language · Computer Science 2026-04-24 Yiqiao Jin , Rachneet Kaur , Zhen Zeng , Sumitra Ganesh , Srijan Kumar

Efficient synthesis recipes are needed both to streamline the manufacturing of complex materials and to accelerate the realization of theoretically predicted materials. Oftentimes the solid-state synthesis of multicomponent oxides is…

Materials Science · Physics 2024-04-10 Jiadong Chen , Samuel R. Cross , Lincoln J. Miara , Jeong-Ju Cho , Yan Wang , Wenhao Sun

Automated characterization of porous materials has the potential to accelerate materials discovery, but it remains limited by the complexity of simulation setup and force field selection. We propose a multi-agent framework in which…

Artificial Intelligence · Computer Science 2025-09-15 Marko Petković , Vlado Menkovski , Sofía Calero

We present a Safe Active Learning (SAL) framework for autonomous reliability characterization of rectifying Ga$_2$O$_3$-based devices under coupled thermal and hydrogen stress. SAL treats rectification as a device-physics-motivated safety…

Applied Physics · Physics 2026-05-06 Davi Febba , William A. Callahan , Anna Sacchi , Andriy Zakutayev

As AI-based applications become pervasive, CPU vendors are starting to incorporate matrix engines within the datapath to boost efficiency. Systolic arrays have been the premier architectural choice as matrix engines in offload accelerators.…

Hardware Architecture · Computer Science 2021-10-06 Geonhwa Jeong , Eric Qin , Ananda Samajdar , Christopher J. Hughes , Sreenivas Subramoney , Hyesoon Kim , Tushar Krishna

Modern science is reaching a critical inflection point. Instruments across disciplines, from particle physics and astronomy to genomics and climate modeling, now produce data of such scale, diversity, and interdependence that traditional…

High Energy Physics - Experiment · Physics 2026-03-10 Ke Li , Beijiang Liu , Bruce Mellado , Changzheng Yuan , Zhengde Zhang

Supply chain risk assessment (SCRA) is pivotal for ensuring resilience in increasingly complex global supply networks. While existing reviews have explored traditional methodologies, they often neglect emerging artificial intelligence (AI)…

Machine Learning · Computer Science 2025-03-03 Md Abrar Jahin , Saleh Akram Naife , Anik Kumar Saha , M. F. Mridha

Designing reinforcement learning curricula for agile robots traditionally requires extensive manual tuning of reward functions, environment randomizations, and training configurations. We introduce AURA (Autonomous Upskilling with…

Robotics · Computer Science 2025-11-06 Alvin Zhu , Yusuke Tanaka , Andrew Goldberg , Dennis Hong

Traditional materials discovery approaches - relying primarily on laborious experiments - have controlled the pace of technology. Instead, computational approaches offer an accelerated path: high-throughput exploration and characterization…

Materials Science · Physics 2018-11-23 Corey Oses

The global demand for sustainable protein sources has accelerated the need for intelligent tools that can rapidly process and synthesise domain-specific scientific knowledge. In this study, we present a proof-of-concept multi-agent…

Artificial Intelligence · Computer Science 2025-06-26 Alexander D. Kalian , Jaewook Lee , Stefan P. Johannesson , Lennart Otte , Christer Hogstrand , Miao Guo

We introduce \emph{Adaptive RAG Memory} (ARM), a retrieval-augmented generation (RAG) framework that replaces a static vector index with a \emph{dynamic} memory substrate governed by selective remembrance and decay. Frequently retrieved…

Information Retrieval · Computer Science 2026-01-07 Okan Bursa

Artificial intelligence (AI) has evolved into an ecosystem of specialized "species," each with unique strengths. We analyze two: DeepSeek-V3, a 671-billion-parameter Mixture of Experts large language model (LLM) exemplifying scale-driven…

Machine Learning · Computer Science 2025-06-23 Joseph Geraci , Bessi Qorri , Christian Cumbaa , Mike Tsay , Paul Leonczyk , Luca Pani

The next generation of advanced materials is tending toward increasingly complex compositions. Synthesizing precise composition is time-consuming and becomes exponentially demanding with increasing compositional complexity. An experienced…

Materials Science · Physics 2024-03-12 Nathan Johnson , Aashwin Ananda Mishra , Apurva Mehta

The efficiency of active learning (AL) approaches to identify materials with desired properties relies on the knowledge of a few parameters describing the property. However, these parameters are unknown if the property is governed by a high…

Materials Science · Physics 2024-12-10 Akhil S. Nair , Lucas Foppa , Matthias Scheffler

The rapid growth of biomedical data, tools, and literature has created a fragmented research landscape that outpaces human expertise. While AI agents offer a solution, they typically rely on static, manually curated toolsets, limiting their…

Artificial Intelligence · Computer Science 2025-07-04 Ruofan Jin , Zaixi Zhang , Mengdi Wang , Le Cong

Rapid developments in artificial intelligence and machine learning as applied to materials science are creating an urgent need for experimental data, which can be provided by high-throughput and autonomous laboratories. To date most…

Advances in generative artificial intelligence are transforming how metal-organic frameworks (MOFs) are designed and discovered. This Perspective introduces the shift from laborious enumeration of MOF candidates to generative approaches…

Search-and-rescue (SaR) in unknown environments requires precise, optimal, and fast decisions. Robots are promising candidates for autonomously performing SaR tasks in unknown environments. While humans use their heuristics to effectively…

Robotics · Computer Science 2022-09-30 Christopher de Koning , Anahita Jamshidnejad

Artificial intelligence (AI) is rapidly emerging as a new paradigm of scientific discovery, namely data-driven science, across nearly all scientific disciplines. In materials science and engineering, AI has already begun to exert a…